BDBM50535662 CHEMBL4453480

SMILES: COC(=O)c1ccc(cc1)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1

InChI Key: InChIKey=IIFXOEHKSRCLRR-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535662   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535662 (CHEMBL4453480) Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O4/c1-29-22(28)16-9-7-15(8-10-16)21(27)25-12-11-18-17(13-25)20(26)24-19(23-18)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069
					More data for this Ligand-Target Pair